5-methyl-1-[3-[3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl]propyl]pyrimidine-2,4-dione

C20H24F3N3O2 — CID 143550834

IUPAC5-methyl-1-[3-[3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl]propyl]pyrimidine-2,4-dione
SMILESCc1cn(CCCN2CCC(Cc3ccc(C(F)(F)F)cc3)C2)c(=O)[nH]c1=O
InChIInChI=1S/C20H24F3N3O2/c1-14-12-26(19(28)24-18(14)27)9-2-8-25-10-7-16(13-25)11-15-3-5-17(6-4-15)20(21,22)23/h3-6,12,16H,2,7-11,13H2,1H3,(H,24,27,28)
InChIKeySHFVELKXEUZGIV-UHFFFAOYSA-N
MW395.43 g/mol
LogP2.82
Rot. Bonds6

About 5-methyl-1-[3-[3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl]propyl]pyrimidine-2,4-dione

5-methyl-1-[3-[3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl]propyl]pyrimidine-2,4-dione (PubChem CID 143550834) has the molecular formula C20H24F3N3O2 and a molecular weight of 395.43 g/mol. Its IUPAC name is 5-methyl-1-[3-[3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl]propyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[3-[3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl]propyl]pyrimidine-2,4-dione
PubChem CID143550834
Molecular FormulaC20H24F3N3O2
Molecular Weight395.43 g/mol
Exact Mass395.18
IUPAC Name5-methyl-1-[3-[3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl]propyl]pyrimidine-2,4-dione
SMILESCc1cn(CCCN2CCC(Cc3ccc(C(F)(F)F)cc3)C2)c(=O)[nH]c1=O
InChIInChI=1S/C20H24F3N3O2/c1-14-12-26(19(28)24-18(14)27)9-2-8-25-10-7-16(13-25)11-15-3-5-17(6-4-15)20(21,22)23/h3-6,12,16H,2,7-11,13H2,1H3,(H,24,27,28)
InChIKeySHFVELKXEUZGIV-UHFFFAOYSA-N
XLogP2.82
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[3-[3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl]propyl]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-[3-[3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl]propyl]pyrimidine-2,4-dione (CID 143550834) is 5-methyl-1-[3-[3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl]propyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-[3-[3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl]propyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-[3-[3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl]propyl]pyrimidine-2,4-dione is Cc1cn(CCCN2CCC(Cc3ccc(C(F)(F)F)cc3)C2)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1-[3-[3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl]propyl]pyrimidine-2,4-dione?
The InChIKey is SHFVELKXEUZGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O2/c1-14-12-26(19(28)24-18(14)27)9-2-8-25-10-7-16(13-25)11-15-3-5-17(6-4-15)20(21,22)23/h3-6,12,16H,2,7-11,13H2,1H3,(H,24,27,28).
What are the key properties of 5-methyl-1-[3-[3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl]propyl]pyrimidine-2,4-dione?
5-methyl-1-[3-[3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl]propyl]pyrimidine-2,4-dione has a molecular weight of 395.43 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[3-[3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl]propyl]pyrimidine-2,4-dione is sourced from PubChem (CID 143550834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).